4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C10H7F3N2S — CID 706457

IUPAC4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-5H,(H2,14,15)
InChIKeyZZDBATBJNFVJCB-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.41
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 706457) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID706457
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-5H,(H2,14,15)
InChIKeyZZDBATBJNFVJCB-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
CID 96129
2-Amino-4,5-diphenylthiazole
CID 73222
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Naphthyl)-1,3-thiazol-2-amine
CID 673702
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
4-(3-Chlorophenyl)thiazol-2-amine
CID 675261

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 706457) is 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is ZZDBATBJNFVJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-6(4-7)8-5-16-9(14)15-8/h1-5H,(H2,14,15).
What are the key properties of 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 244.24 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 706457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).